SCHEMBL15465758

SCHEMBL15465758

COc1ccc2c3c(oc2c1)C(=O)NCC3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.56
GABRA5 P31644 2/20 0.56
GABRA3 P34903 2/20 0.56
GABRA2 P47869 2/20 0.56
GABRB2 P47870 2/20 0.56
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 8/20 0.52
MAPT P10636 6/20 0.52
HPGD P15428 5/20 0.52
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
POLB P06746 1/20 0.51
STAT1 P42224 1/20 0.51
MEN1 O00255 3/20 0.49
CYP3A4 P08684 3/20 0.49
KMT2A Q03164 3/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9920606 0.89 ALDH1A1 (0.55) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL9904237 0.82 ALDH1A1 (0.67) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL9904134 0.81 PRKD1 (0.67) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL8578657 0.76 KDM4E (0.55) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL31355003 0.74 HTR6 (0.57) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL25897440 0.74 HTR6 (0.57) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL6313003 0.74 CDK1 (0.53) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL1104009 0.72 HTR6 (0.67) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL4903858 0.71 KDM4E (0.80) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL9920687 0.70 PRKD1 (0.84) KDM4EALDH1A1MAPTHPGDMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 US disclosed
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140045821-A1 PROTEIN KINASE D INHIBITORS PRKCD, PRKD1, PRKD2 GABRA1 3821/4885GABRA5 4224/4885GABRA3 3815/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.